pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.63	IUPAC digitized pKa	0	-1	CCNc1ncnc(O)c1N(CC)CC	CCNc1ncnc([O-])c1N(CC)CC	mol7326	CCNc1ncnc(O)c1N(CC)CC
4.7	IUPAC digitized pKa	2	1	CCNc1[nH+]cnc(O)c1[NH+](CC)CC,CCNc1[nH+]c[nH+]c(O)c1N(CC)CC,CCNc1nc[nH+]c(O)c1[NH+](CC)CC,CC[NH2+]c1ncnc(O)c1[NH+](CC)CC	CCNc1[nH+]cnc(O)c1N(CC)CC,CCNc1nc[nH+]c(O)c1N(CC)CC,CCNc1ncnc(O)c1[NH+](CC)CC,CC[NH2+]c1ncnc(O)c1N(CC)CC	mol7326	CCNc1ncnc(O)c1N(CC)CC